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114515-56-9 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trimethoxy-2-methyl-
CAS No: 114515-56-9 Catalog No: AG000EMK MDL No:
Product Description
Catalog Number:
AG000EMK
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trimethoxy-2-methyl-
CAS Number:
114515-56-9
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
5,6,7-trimethoxy-2-methyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C13H16O5/c1-7-5-8(14)11-9(18-7)6-10(15-2)12(16-3)13(11)17-4/h6-7H,5H2,1-4H3
InChI Key:
YEBZLORNMWYIFN-UHFFFAOYSA-N
SMILES:
COc1cc2OC(C)CC(=O)c2c(c1OC)OC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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